1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea

C17H19N3O — CID 107653389

IUPAC1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cccc2c1NCCC2
InChIInChI=1S/C17H19N3O/c21-17(19-12-13-6-2-1-3-7-13)20-15-10-4-8-14-9-5-11-18-16(14)15/h1-4,6-8,10,18H,5,9,11-12H2,(H2,19,20,21)
InChIKeyVHRGYOFBEYYLKF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds3

About 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea

1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea (PubChem CID 107653389) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea
PubChem CID107653389
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cccc2c1NCCC2
InChIInChI=1S/C17H19N3O/c21-17(19-12-13-6-2-1-3-7-13)20-15-10-4-8-14-9-5-11-18-16(14)15/h1-4,6-8,10,18H,5,9,11-12H2,(H2,19,20,21)
InChIKeyVHRGYOFBEYYLKF-UHFFFAOYSA-N
XLogP3.37
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 107654114
1-benzyl-3-(3-oxo-4H-1,4-benzoxazin-5-yl)urea
CID 110747359
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)benzamide
CID 81423548
1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea
CID 110874643
N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
CID 125424059
1-(2-aminophenyl)-3-benzylurea
CID 86135193
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829
4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzamide
CID 43823002
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzamide
CID 18071557
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea?
The IUPAC name of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea (CID 107653389) is 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea?
The canonical SMILES for 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea is O=C(NCc1ccccc1)Nc1cccc2c1NCCC2.
What is the InChIKey of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea?
The InChIKey is VHRGYOFBEYYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-12-13-6-2-1-3-7-13)20-15-10-4-8-14-9-5-11-18-16(14)15/h1-4,6-8,10,18H,5,9,11-12H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea?
1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea has a molecular weight of 281.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,2,3,4-tetrahydroquinolin-8-yl)urea is sourced from PubChem (CID 107653389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).